2XBA
Structure of Human Anaplastic Lymphoma Kinase in complex with PHA- E429
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-11-27 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.884, 57.013, 105.541 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.730 - 1.950 |
| R-factor | 0.195 |
| Rwork | 0.193 |
| R-free | 0.22900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | INTERNAL STRUCTURE OF IGF-1R |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.200 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | CNX (2005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 57.780 | 2.060 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.090 | 0.450 |
| Number of reflections | 23448 | |
| <I/σ(I)> | 16.3 | 2.9 |
| Completeness [%] | 99.6 | 99.8 |
| Redundancy | 4.7 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 20% PEG3350, 0.15 M DL-MALIC ACID |
